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CAS 66256-28-8 5-FLUORO-2-IODOTOLUENE molecular structure lightbox
CAS RN: 66256-28-8

5-FLUORO-2-IODOTOLUENE

  • Product code: SSC-175890
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66256-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

66256-28-8 / 4-fluoro-1-iodo-2-methylbenzene

Standard CAS: 66256-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66256-28-8
Multi CAS
No
Molecular Formula
C7FH6I
Molecular Weight
236.020000
Exact Mass
235.949830
InChI
InChI=1S/C7H6FI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
VWBMDRDQJLUMMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
43.85
TPSA
0.0000

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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